2-oxo-5-[3-(sulfinatoamino)anilino]-1H-1,8-naphthyridine;dihydrochloride

C14H13Cl2N4O3S- — CID 170349625

IUPAC2-oxo-5-[3-(sulfinatoamino)anilino]-1H-1,8-naphthyridine;dihydrochloride
SMILESCl.Cl.O=c1ccc2c(Nc3cccc(NS(=O)[O-])c3)ccnc2[nH]1
InChIInChI=1S/C14H12N4O3S.2ClH/c19-13-5-4-11-12(6-7-15-14(11)17-13)16-9-2-1-3-10(8-9)18-22(20)21;;/h1-8,18H,(H,20,21)(H2,15,16,17,19);2*1H/p-1
InChIKeyVOUDYTYSXOCOSG-UHFFFAOYSA-M
MW388.26 g/mol
LogP2.72
Rot. Bonds4

About 2-oxo-5-[3-(sulfinatoamino)anilino]-1H-1,8-naphthyridine;dihydrochloride

2-oxo-5-[3-(sulfinatoamino)anilino]-1H-1,8-naphthyridine;dihydrochloride (PubChem CID 170349625) has the molecular formula C14H13Cl2N4O3S- and a molecular weight of 388.26 g/mol. Its IUPAC name is 2-oxo-5-[3-(sulfinatoamino)anilino]-1H-1,8-naphthyridine;dihydrochloride.

Molecular Properties

Compound Name2-oxo-5-[3-(sulfinatoamino)anilino]-1H-1,8-naphthyridine;dihydrochloride
PubChem CID170349625
Molecular FormulaC14H13Cl2N4O3S-
Molecular Weight388.26 g/mol
Exact Mass387.01
IUPAC Name2-oxo-5-[3-(sulfinatoamino)anilino]-1H-1,8-naphthyridine;dihydrochloride
SMILESCl.Cl.O=c1ccc2c(Nc3cccc(NS(=O)[O-])c3)ccnc2[nH]1
InChIInChI=1S/C14H12N4O3S.2ClH/c19-13-5-4-11-12(6-7-15-14(11)17-13)16-9-2-1-3-10(8-9)18-22(20)21;;/h1-8,18H,(H,20,21)(H2,15,16,17,19);2*1H/p-1
InChIKeyVOUDYTYSXOCOSG-UHFFFAOYSA-M
XLogP2.72
TPSA109.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.26
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Related Compounds

5-[3-[2-[methyl(sulfinato)amino]ethyl]anilino]-2-oxo-1H-1,8-naphthyridine;dihydrochloride
CID 170349583
5-(2,3-dihydro-1H-inden-5-ylamino)-1H-1,8-naphthyridin-2-one
CID 175746708
5-(2-aminoanilino)-1H-1,8-naphthyridin-2-one
CID 89113718
N-(3-nitrosophenyl)-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 143384635
5-[2-fluoro-4-[(sulfinatoamino)methyl]phenyl]-2-oxo-1H-1,8-naphthyridine;hydrochloride
CID 170349595
3-(1H-pyrrolo[2,3-b]pyridin-4-ylamino)benzoic acid
CID 58086793
1-bromo-3-(sulfinatoamino)benzene
CID 57052176
1-phenyl-3-(sulfinatoamino)benzene
CID 57143520
5-ethenyl-1H-1,8-naphthyridin-2-one
CID 91107256
5-[4-[(1S)-1-[methyl(sulfinato)amino]ethyl]phenyl]-2-oxo-1H-1,8-naphthyridine;hydrochloride
CID 170349644
2-(3-methoxyanilino)-1H-pyrimidin-6-one
CID 716132
4-[3-(sulfinatoamino)phenyl]-1H-pyrazole
CID 167366018

Frequently Asked Questions

What is the IUPAC name of 2-oxo-5-[3-(sulfinatoamino)anilino]-1H-1,8-naphthyridine;dihydrochloride?
The IUPAC name of 2-oxo-5-[3-(sulfinatoamino)anilino]-1H-1,8-naphthyridine;dihydrochloride (CID 170349625) is 2-oxo-5-[3-(sulfinatoamino)anilino]-1H-1,8-naphthyridine;dihydrochloride.
What is the SMILES notation for 2-oxo-5-[3-(sulfinatoamino)anilino]-1H-1,8-naphthyridine;dihydrochloride?
The canonical SMILES for 2-oxo-5-[3-(sulfinatoamino)anilino]-1H-1,8-naphthyridine;dihydrochloride is Cl.Cl.O=c1ccc2c(Nc3cccc(NS(=O)[O-])c3)ccnc2[nH]1.
What is the InChIKey of 2-oxo-5-[3-(sulfinatoamino)anilino]-1H-1,8-naphthyridine;dihydrochloride?
The InChIKey is VOUDYTYSXOCOSG-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H12N4O3S.2ClH/c19-13-5-4-11-12(6-7-15-14(11)17-13)16-9-2-1-3-10(8-9)18-22(20)21;;/h1-8,18H,(H,20,21)(H2,15,16,17,19);2*1H/p-1.
What are the key properties of 2-oxo-5-[3-(sulfinatoamino)anilino]-1H-1,8-naphthyridine;dihydrochloride?
2-oxo-5-[3-(sulfinatoamino)anilino]-1H-1,8-naphthyridine;dihydrochloride has a molecular weight of 388.26 g/mol, XLogP of 2.72, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-5-[3-(sulfinatoamino)anilino]-1H-1,8-naphthyridine;dihydrochloride is sourced from PubChem (CID 170349625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).